CAS Number129729-66-4
Synonyms(3S)-3-hydroxy-2,2-dimethyl-4-(2-oxopyridin-1-yl)chroman-6-carbonitrile; (3S)-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridyl)chroman-6-carbonitrile; (3S)-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridyl)-6-chromancarbonitrile; (3S)-3-hydroxy-4-(2-keto-1-pyridyl)-2,2-dimethyl-chroman-6-carbonitrile; (-)-(3S,4R)-3-Hydroxy-2,2-dimethyl-4-(2-oxo-1(2H)-pyridyl)-6-chromancarbonitrile.
Molecular FormulaC17H16N2O3
Molecular Weight296.32100
Purity98.00%
Density1.34g/cm3
Boiling Point523.9ºC at 760mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 129729-66-4 |
| Catalog No. | 2A-9010302 |
| Chinese Name | 依马卡林 |
| Synonyms | (3S)-3-hydroxy-2,2-dimethyl-4-(2-oxopyridin-1-yl)chroman-6-carbonitrile; (3S)-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridyl)chroman-6-carbonitrile; (3S)-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridyl)-6-chromancarbonitrile; (3S)-3-hydroxy-4-(2-keto-1-pyridyl)-2,2-dimethyl-chroman-6-carbonitrile; (-)-(3S,4R)-3-Hydroxy-2,2-dimethyl-4-(2-oxo-1(2H)-pyridyl)-6-chromancarbonitrile. |
| Molecular Formula | C17H16N2O3 |
| Molecular Weight | 296.32100 |
| Purity | 98.00 |
| Density | 1.34g/cm3 |
| Boiling Point | 523.9ºC at 760mmHg |
| SMILES | CC1(C)Oc2ccc(C#N)cc2C(n2ccccc2=O)C1O |
| InChI | InChI=1S/C17H16N2O3/c1-17(2)16(21)15(19-8-4-3-5-14(19)20)12-9-11(10-18)6-7-13(12)22-17/h3-9,15-16,21H,1-2H3/t15?,16-/m0/s1 |
| InChI Key | MMSFHQSHXRMPLJ-CVEARBPZSA-N |
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